tert-butyl N-(2-imidazol-1-ylpropyl)carbamate

C11H19N3O2 — CID 151187469

IUPACtert-butyl N-(2-imidazol-1-ylpropyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)n1ccnc1
InChIInChI=1S/C11H19N3O2/c1-9(14-6-5-12-8-14)7-13-10(15)16-11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,13,15)
InChIKeyNFPKUALHARXAGH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.97
Rot. Bonds3

About tert-butyl N-(2-imidazol-1-ylpropyl)carbamate

tert-butyl N-(2-imidazol-1-ylpropyl)carbamate (PubChem CID 151187469) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-(2-imidazol-1-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-imidazol-1-ylpropyl)carbamate
PubChem CID151187469
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl N-(2-imidazol-1-ylpropyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)n1ccnc1
InChIInChI=1S/C11H19N3O2/c1-9(14-6-5-12-8-14)7-13-10(15)16-11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,13,15)
InChIKeyNFPKUALHARXAGH-UHFFFAOYSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-2-(3-chloropyrrol-1-yl)propyl]carbamate
CID 175182745
tert-butyl N-[(2R)-2-[2-(trifluoromethyl)pyrrol-1-yl]propyl]carbamate
CID 175520064
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 91791046
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
tert-butyl N-imidazol-1-ylcarbamate
CID 67503265
2-imidazol-1-yl-N-propylpropan-1-amine
CID 62449251
methyl 3-bromo-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrazole-5-carboxylate
CID 170120050
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
1-ethyl-N-[(2R)-2-imidazol-1-ylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 97143013
tert-butyl N-[3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propyl]carbamate
CID 103821872

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-imidazol-1-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-imidazol-1-ylpropyl)carbamate (CID 151187469) is tert-butyl N-(2-imidazol-1-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-imidazol-1-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-imidazol-1-ylpropyl)carbamate is CC(CNC(=O)OC(C)(C)C)n1ccnc1.
What is the InChIKey of tert-butyl N-(2-imidazol-1-ylpropyl)carbamate?
The InChIKey is NFPKUALHARXAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(14-6-5-12-8-14)7-13-10(15)16-11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-(2-imidazol-1-ylpropyl)carbamate?
tert-butyl N-(2-imidazol-1-ylpropyl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-imidazol-1-ylpropyl)carbamate is sourced from PubChem (CID 151187469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).